N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H17N3O2 — CID 106187443

IUPACN-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C1CC(NC(=O)C2Cc3ccccc3CN2)CN1
InChIInChI=1S/C14H17N3O2/c18-13-6-11(8-16-13)17-14(19)12-5-9-3-1-2-4-10(9)7-15-12/h1-4,11-12,15H,5-8H2,(H,16,18)(H,17,19)
InChIKeyIJMBTYMSMRJLIB-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.29
Rot. Bonds2

About N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106187443) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106187443
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C1CC(NC(=O)C2Cc3ccccc3CN2)CN1
InChIInChI=1S/C14H17N3O2/c18-13-6-11(8-16-13)17-14(19)12-5-9-3-1-2-4-10(9)7-15-12/h1-4,11-12,15H,5-8H2,(H,16,18)(H,17,19)
InChIKeyIJMBTYMSMRJLIB-UHFFFAOYSA-N
XLogP-0.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24698231
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671
(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119307988
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79524266
N-(2-phenylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119281644
N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64907413
N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119854490
(3S)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896639

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106187443) is N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C1CC(NC(=O)C2Cc3ccccc3CN2)CN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is IJMBTYMSMRJLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-6-11(8-16-13)17-14(19)12-5-9-3-1-2-4-10(9)7-15-12/h1-4,11-12,15H,5-8H2,(H,16,18)(H,17,19).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106187443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).